1-(3,4-dimethoxyphenyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethanol

C14H15F3N2O3S — CID 84591027

IUPAC1-(3,4-dimethoxyphenyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethanol
SMILESCOc1ccc(C(O)CNc2nc(C(F)(F)F)cs2)cc1OC
InChIInChI=1S/C14H15F3N2O3S/c1-21-10-4-3-8(5-11(10)22-2)9(20)6-18-13-19-12(7-23-13)14(15,16)17/h3-5,7,9,20H,6H2,1-2H3,(H,18,19)
InChIKeyGEZPFBIFJNWRNR-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.32
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethanol

1-(3,4-dimethoxyphenyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethanol (PubChem CID 84591027) has the molecular formula C14H15F3N2O3S and a molecular weight of 348.35 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethanol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethanol
PubChem CID84591027
Molecular FormulaC14H15F3N2O3S
Molecular Weight348.35 g/mol
Exact Mass348.08
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethanol
SMILESCOc1ccc(C(O)CNc2nc(C(F)(F)F)cs2)cc1OC
InChIInChI=1S/C14H15F3N2O3S/c1-21-10-4-3-8(5-11(10)22-2)9(20)6-18-13-19-12(7-23-13)14(15,16)17/h3-5,7,9,20H,6H2,1-2H3,(H,18,19)
InChIKeyGEZPFBIFJNWRNR-UHFFFAOYSA-N
XLogP3.32
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
CID 597490
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133366043
(1R)-2-[(3-chloro-4-pyridinyl)amino]-1-(3,4-dimethoxyphenyl)ethanol
CID 97221871
4-(difluoromethoxy)-3-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78863411
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 99979776
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
1-tert-butyl-3-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 99780012
N'-tert-butyl-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 72717745
2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol
CID 133410382
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
CID 11042831

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethanol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethanol (CID 84591027) is 1-(3,4-dimethoxyphenyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethanol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethanol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethanol is COc1ccc(C(O)CNc2nc(C(F)(F)F)cs2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethanol?
The InChIKey is GEZPFBIFJNWRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3S/c1-21-10-4-3-8(5-11(10)22-2)9(20)6-18-13-19-12(7-23-13)14(15,16)17/h3-5,7,9,20H,6H2,1-2H3,(H,18,19).
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethanol?
1-(3,4-dimethoxyphenyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethanol has a molecular weight of 348.35 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethanol is sourced from PubChem (CID 84591027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).